CID 496286

Nsc684448

Structural Information

Molecular Formula
C17H19NO2S2
SMILES
CC12C3CC4(C3C(=O)N1C(CO2)C5=CC=CC=C5)SCCS4
InChI
InChI=1S/C17H19NO2S2/c1-16-12-9-17(21-7-8-22-17)14(12)15(19)18(16)13(10-20-16)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
InChIKey
HRUYNPWKJWIJIR-UHFFFAOYSA-N
Compound name
1'-methyl-8'-phenylspiro[1,3-dithiolane-2,4'-10-oxa-7-azatricyclo[5.3.0.02,5]decane]-6'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.08572 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09300 163.5
[M+Na]+ 356.07494 171.2
[M-H]- 332.07844 173.0
[M+NH4]+ 351.11954 180.9
[M+K]+ 372.04888 171.2
[M+H-H2O]+ 316.08298 157.0
[M+HCOO]- 378.08392 171.0
[M+CH3COO]- 392.09957 174.9
[M+Na-2H]- 354.06039 162.5
[M]+ 333.08517 174.6
[M]- 333.08627 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.